SCHEMBL1114928

SCHEMBL1114928

COc1ccccc1N1CCN(CCCCOc2ccc(CCc3nc[nH]n3)cc2)CC1

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.68
ALDH1A1 P00352 1/20 0.68
SMN1; SMN2 Q16637 1/20 0.68
MAPT P10636 1/20 0.65
NLRP1 Q9C000 1/20 0.65
SLC6A2 P23975 2/20 0.61
SLC6A4 P31645 2/20 0.61
DRD2 P14416 3/20 0.60
DRD3 P35462 2/20 0.60
ADRA1A P35348 1/20 0.60
DRD1 P21728 1/20 0.58
DRD4 P21917 1/20 0.58
HTR2A P28223 1/20 0.58
HTR1A P08908 2/20 0.57
ABCB1 P08183 1/20 0.56

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL16027109 0.83 LMNA (0.63) LMNAALDH1A1SMN1; SMN2MAPTNLRP1
SCHEMBL1114668 0.82 LMNA (0.67) LMNAALDH1A1SMN1; SMN2MAPTNLRP1
SCHEMBL16063779 0.81 LMNA (0.63) LMNAALDH1A1SMN1; SMN2MAPTNLRP1
Hydrochloric Acid SCHEMBL1114457 0.81 LMNA (0.74) LMNAALDH1A1SMN1; SMN2MAPTNLRP1
SCHEMBL1114391 0.80 LMNA (0.62) LMNAALDH1A1SMN1; SMN2MAPTNLRP1
SCHEMBL1114669 0.80 LMNA (0.64) LMNAALDH1A1SMN1; SMN2MAPTNLRP1
SCHEMBL1114497 0.80 DRD2 (0.72) LMNAALDH1A1SMN1; SMN2MAPTNLRP1
SCHEMBL12403673 0.80 LMNA (0.72) LMNAALDH1A1SMN1; SMN2MAPTNLRP1
SCHEMBL1114603 0.79 LMNA (0.63) LMNAALDH1A1SMN1; SMN2MAPTNLRP1
SCHEMBL1114565 0.79 LMNA (0.63) LMNAALDH1A1SMN1; SMN2MAPTNLRP1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2279179-A2 PHENYL PIPERAZINE COMPOUNDS, PHARMACEUTICAL COMPOSITION INCLUDING THE SAME, AND USE THEREOF SK Holdings Co., Ltd. (KR) 2011-02-02 EP disclosed
WO-2009145591-A2 PHENYL PIPERAZINE COMPOUNDS, PHARMACEUTICAL COMPOSITION INCLUDING THE SAME, AND USE THEREOF SK HOLDINGS CO., LTD. (KR) 2009-12-03 WO disclosed